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Molecule
Phosgeniminium Chloride
CAS: 33842-02-3 · C3H6Cl3N
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 33842-02-3
- Molecular Formula
- C3H6Cl3N
- Molecular Mass
- 162.45 g/mol
Identifiers
CAS Registry Number
33842-02-3
SMILES
CN(C)C(Cl)=[Cl+].[Cl-]
InChI Key
NRNFKRFWZQQDMD-UHFFFAOYSA-M
InChI
InChI=1S/C3H6Cl2N.ClH/c1-6(2)3(4)5;/h1-2H3;1H/q+1;/p-1
Names and Synonyms
- Phosgeniminium Chloride Synonym
- Methanaminium, dichlorodimethyl-, chloride (1:1) Synonym
- Methanaminium, N-(dichloromethylene)-N-methyl-, chloride Synonym
- Ammonium, (dichloromethylene)dimethyl-, chloride Synonym
- (Dichloromethylene)dimethylammonium chloride Synonym
- Dimethylphosgeniminium chloride Synonym
- Viehe's salt Synonym
- N-(Dichloromethylene)-N-methylmethanaminium chloride Synonym
- Phosgeniminium chloride Synonym
- (Dichloromethylene)dimethyliminium chloride Synonym
- (Dichloromethylidene)dimethylazanium chloride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Melting Point | 185 °C | CAS Common Chemistry |
| Molecular Mass | 162.45 g/mol | CAS Common Chemistry |
| 162.447 g/mol | RDKit | |
| 162.438 g/mol | chempirical lib | |
| Canonical SMILES | [Cl-].ClC(Cl)=[N+](C)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H6Cl2N.ClH/c1-6(2)3(4)5;/h1-2H3;1H/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=NRNFKRFWZQQDMD-UHFFFAOYSA-M | CAS Common Chemistry |
| Name | Phosgeniminium chloride | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 3.24 Ų | RDKit |
| 3.01 Ų | chempirical lib | |
| LogP | -2.572499999999999 | RDKit |
| -2.5725 | RDKit | |
| Molar Refractivity | 24.54699999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.6667 | RDKit |
| 0.67 | chempirical lib | |
| Exact Mass | 160.956582232 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 162.45 g/mol. Edit any field — others recompute live.
